Information card for entry 4069349

Structure parameters

• Formula: C31 H46 N6 Ti
• Calculated formula: C31 H46 N6 Ti
• SMILES: C12CCC[N]=2[Ti]2345([c]6([c]5([c]4([c]3([c]26C)C)C)C)C)(N1c1cc(cc(C)c1)C)(=NN(C)C)[n]1ccc(cc1)N(C)C
• Title of publication: Titanium Hydrazinediido Half-Sandwich Complexes: Highly Active Catalysts for the Hydrohydrazination of Terminal Alkynes at Ambient Temperature
• Authors of publication: Weitershaus, Katharina; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 3381
• a: 11.1384 ± 0.0013 Å
• b: 11.9027 ± 0.0014 Å
• c: 12.5326 ± 0.0015 Å
• α: 89.894 ± 0.002°
• β: 88.023 ± 0.002°
• γ: 66.001 ± 0.002°
• Cell volume: 1516.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No